Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester
TL;DR: Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester (CAS 2595-53-1) is a chemical compound with molecular formula C10H12ClO4PS and molecular weight 293.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfanylethenyl dimethyl phosphate
Also Known As: Shell SD-7587, ENT 25,816, SD 7587, 1-(p-Chlorophenylthio)vinyl dimethyl phosphate, AI3-25816
| Molecular Formula | C10H12ClO4PS |
|---|---|
| Molecular Weight | 293.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.98825 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 2595-53-1 |
|---|---|
| SMILES | COP(=O)(OC)OC(=C)SC1=CC=C(C=C1)Cl |
| InChIKey | GRILGJQNEPSNMX-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester (CAS 2595-53-1), with molecular formula C10H12ClO4PS and molecular weight 293.99 g/mol. IUPAC: 1-(4-chlorophenyl)sulfanylethenyl dimethyl phosphate.
Chemical Property Profile of Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester
Property Insights of Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester
The XLogP value of 3.2 indicates that Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester. Following Lipinski's Rule of Five, Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester?
The CAS number of Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester is 2595-53-1.
What is the molecular formula of Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester?
The molecular formula of Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester is C10H12ClO4PS.
What is the molecular weight of Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester?
The molecular weight of Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester is 293.99 g/mol.
Where can I buy Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester?
You can request a quote for Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.